>compound L-Ethionine_L-Ethionine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H13NO2S
#smiles CCSCC[C@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100931.txt;LC-ESI-QTOF_train_data/PR100469.txt
>charge -1
>ionization [M-H]-
>parentmass 162.0589

>collision 5-60
61.0135 111.3
144.8911 31.19
161.8938 72.8
162.0589 45.39
162.893 12.55

>collision 5-60
56.0511 178.0
73.0124 116.4
74.0249 159.9
74.0612 119.1
75.0275 1101.0
101.0431 101.9
102.0557 426.0
118.0692 936.1
147.0479 984.6
164.0745 334.9

